Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

The origin of jerky dislocation motion in high-entropy alloys.

ABSTRACT: Dislocations in single-phase concentrated random alloys, including high-entropy alloys (HEAs), repeatedly encounter pinning during glide, resulting in jerky dislocation motion. While solute-dislocation interaction is well understood in conventional alloys, the origin of individual pinning points in concentrated random alloys is a matter of debate. In this work, we investigate the origin of dislocation pinning in the CoCrFeMnNi HEA. In-situ transmission electron microscopy studies reveal wavy dislocation lines and a jagged glide motion under external loading, even though no segregation or clustering is found around Shockley partial dislocations. Atomistic simulations reproduce the jerky dislocation motion and link the repeated pinning to local fluctuations in the Peierls friction. We demonstrate that the density of high local Peierls friction is proportional to the critical stress required for dislocation glide and the dislocation mobility.

SUBMITTER: Utt D

PROVIDER: S-EPMC9378647 | biostudies-literature | 2022 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

The origin of jerky dislocation motion in high-entropy alloys.

Utt Daniel D Lee Subin S Xing Yaolong Y Jeong Hyejin H Stukowski Alexander A Oh Sang Ho SH Dehm Gerhard G Albe Karsten K

Nature communications 20220815 1

Dislocations in single-phase concentrated random alloys, including high-entropy alloys (HEAs), repeatedly encounter pinning during glide, resulting in jerky dislocation motion. While solute-dislocation interaction is well understood in conventional alloys, the origin of individual pinning points in concentrated random alloys is a matter of debate. In this work, we investigate the origin of dislocation pinning in the CoCrFeMnNi HEA. In-situ transmission electron microscopy studies reveal wavy dis ...[more]

PMID: 35970838

Similar Datasets

Unusual activated processes controlling dislocation motion in body-centered-cubic high-entropy alloys.

Project description:Atomistic simulations of dislocation mobility reveal that body-centered cubic (BCC) high-entropy alloys (HEAs) are distinctly different from traditional BCC metals. HEAs are concentrated solutions in which composition fluctuation is almost inevitable. The resultant inhomogeneities, while locally promoting kink nucleation on screw dislocations, trap them against propagation with an appreciable energy barrier, replacing kink nucleation as the rate-limiting mechanism. Edge dislocations encounter a similar activated process of nanoscale segment detrapping, with comparable activation barrier. As a result, the mobility of edge dislocations, and hence their contribution to strength, becomes comparable to screw dislocations.

| S-EPMC7368262 | biostudies-literature

Origin of age softening in the refractory high-entropy alloys.

Project description:Refractory high-entropy alloys (RHEAs) are emerging materials with potential for use under extreme conditions. As a newly developed material system, a comprehensive understanding of their long-term stability under potential service temperatures remains to be established. This study examined a titanium-vanadium-niobium-tantalum alloy, a promising RHEA known for its superior high-temperature strength and room-temperature ductility. Using a combination of advanced analytical microscopies, Calculation of Phase Diagrams (CALPHAD) software, and nanoindentation, we investigated the evolution of its microstructure and mechanical properties upon aging at 700°C. Trace interstitials such as oxygen and nitrogen, initially contributing to solid solution strengthening, promote phase segregation during thermal aging. As a result of the depletion of solute interstitials within the metal matrix, a progressive softening is observed in the alloy as a function of aging time. This study, therefore, underscores the need for a better control of impurities in future development and application of RHEAs.

| S-EPMC10708198 | biostudies-literature

Electronic descriptors for dislocation deformation behavior and intrinsic ductility in bcc high-entropy alloys.

Project description:Controlling the balance between strength and damage tolerance in high-entropy alloys (HEAs) is central to their application as structural materials. Materials discovery efforts for HEAs are therefore impeded by an incomplete understanding of the chemical factors governing this balance. Through first-principles calculations, this study explores factors governing intrinsic ductility of a crucial subset of HEAs-those with a body-centered cubic (bcc) crystal structure. Analyses of three sets of bcc HEAs comprising nine different compositions reveal that alloy chemistry profoundly influences screw dislocation core structure, dislocation vibrational properties, and intrinsic ductility parameters derived from unstable stacking fault and surface energies. Key features in the electronic structure are identified that correlate with these properties: the fraction of occupied bonding states and bimodality of the d-orbital density of states. The findings enhance the fundamental understanding of the origins of intrinsic ductility and establish an electronic structure-based framework for computationally accelerated materials discovery and design.

| S-EPMC11778022 | biostudies-literature

Atomistic simulations of dislocation mobility in refractory high-entropy alloys and the effect of chemical short-range order.

Project description:Refractory high-entropy alloys (RHEAs) are designed for high elevated-temperature strength, with both edge and screw dislocations playing an important role for plastic deformation. However, they can also display a significant energetic driving force for chemical short-range ordering (SRO). Here, we investigate mechanisms underlying the mobilities of screw and edge dislocations in the body-centered cubic MoNbTaW RHEA over a wide temperature range using extensive molecular dynamics simulations based on a highly-accurate machine-learning interatomic potential. Further, we specifically evaluate how these mechanisms are affected by the presence of SRO. The mobility of edge dislocations is found to be enhanced by the presence of SRO, whereas the rate of double-kink nucleation in the motion of screw dislocations is reduced, although this influence of SRO appears to be attenuated at increasing temperature. Independent of the presence of SRO, a cross-slip locking mechanism is observed for the motion of screws, which provides for extra strengthening for refractory high-entropy alloy system.

| S-EPMC8357793 | biostudies-literature

Twinning in metastable high-entropy alloys.

Project description:Twinning is a fundamental mechanism behind the simultaneous increase of strength and ductility in medium- and high-entropy alloys, but its operation is not yet well understood, which limits their exploitation. Since many high-entropy alloys showing outstanding mechanical properties are actually thermodynamically unstable at ambient and cryogenic conditions, the observed twinning challenges the existing phenomenological and theoretical plasticity models. Here, we adopt a transparent approach based on effective energy barriers in combination with first-principle calculations to shed light on the origin of twinning in high-entropy alloys. We demonstrate that twinning can be the primary deformation mode in metastable face-centered cubic alloys with a fraction that surpasses the previously established upper limit. The present advance in plasticity of metals opens opportunities for tailoring the mechanical response in engineering materials by optimizing metastable twinning in high-entropy alloys.

| S-EPMC6006257 | biostudies-literature

Fatigue dataset of high-entropy alloys.

Project description:Fatigue failure of metallic structures is of great concern to industrial applications. A material will not be practically useful if it is prone to fatigue failures. To take the advantage of lately emerged high-entropy alloys (HEAs) for designing novel fatigue-resistant alloys, we compiled a fatigue database of HEAs from the literature reported until the beginning of 2022. The database is subdivided into three categories, i.e., low-cycle fatigue (LCF), high-cycle fatigue (HCF), and fatigue crack growth rate (FCGR), which contain 15, 23, and 28 distinct data records, respectively. Each data record in any of three categories is characteristic of a summary, which is comprised of alloy compositions, key fatigue properties, and additional information influential to, or interrelated with, fatigue (e.g., material processing history, phase constitution, grain size, uniaxial tensile properties, and fatigue testing conditions), and an individual dataset, which makes up the original fatigue testing curve. Some representative individual datasets in each category are graphically visualized. The dataset is hosted in an open data repository, Materials Cloud.

| S-EPMC9259632 | biostudies-literature

Origin of micrometer-scale dislocation motion during hydrogen desorption.

Project description:Hydrogen, while being a potential energy solution, creates arguably the most important embrittlement problem in high-strength metals. However, the underlying hydrogen-defect interactions leading to embrittlement are challenging to unravel. Here, we investigate an intriguing hydrogen effect to shed more light on these interactions. By designing an in situ electron channeling contrast imaging experiment of samples under no external stresses, we show that dislocations (atomic-scale line defects) can move distances reaching 1.5 μm during hydrogen desorption. Combining molecular dynamics and grand canonical Monte Carlo simulations, we reveal that grain boundary hydrogen segregation can cause the required long-range resolved shear stresses, as well as short-range atomic stress fluctuations. Thus, such segregation effects should be considered widely in hydrogen research.

| S-EPMC7274796 | biostudies-literature

WEDM Used for Machining High Entropy Alloys.

Project description:Unconventional wire electrical discharge machining technology (WEDM) is a key machining process, especially for machining newly emerging materials, as there are almost no restrictions (only at least minimal electrical conductivity) in terms of demands on the mechanical properties of the workpiece or the need to develop new tool geometry. This study is the first to present an analysis of the machinability of newly developed high entropy alloys (HEAs), namely FeCoCrMnNi and FeCoCrMnNiC0.2, using WEDM. The aim of this study was to find the optimal setting of machine parameters for the efficient production of parts with the required surface quality without defects. For this reason, an extensive design of experiments consisting of 66 rounds was performed, which took into account the influence of five input factors in the form of pulse off time, gap voltage, discharge current, pulse on time, and wire speed on cutting speed and the quality of the machined surface and its subsurface layer. The analysis of topography, morphology, subsurface layers, chemical composition analysis (EDX), and lamella analysis using a transmission electron microscope (TEM) were performed. An optimal setting of the machine parameters was found, which enables machining of FeCoCrMnNi and FeCoCrMnNiC0.2 with the required surface quality without defects.

| S-EPMC7662231 | biostudies-literature

High-temperature martensitic transformation of CuNiHfTiZr high- entropy alloys.

Project description:One of the major challenges of near-equiatomic NiTi shape memory alloys is their limitation for high-temperature applications. To overcome this barrier, researchers have tried to enhance the transformation temperatures by addition of alloying elements or even by introducing the concept of high-entropy alloys (HEAs). In this study, the CuNiHfTiZr HEAs were developed for high-temperature shape memory effect. Based on their solubility and electron configurations, the alloying elements are divided into two groups, (CuNi)50 and (HfTiZr)50. The content of Cu in (CuNi)50 is modulated to investigate the influences of Cu on martensitic transformation of the HEAs by studying structural evolution and transformation behavior. The results of x-ray diffraction and thermal expansion tests revealed that Cu15Ni35Hf16.67Ti16.67Zr16.67 possesses high transformation temperature, narrow hysteresis temperature loops, and good dimensional stability within this HEA system.

| S-EPMC6925220 | biostudies-literature

High-throughput design of high-performance lightweight high-entropy alloys.

Project description:Developing affordable and light high-temperature materials alternative to Ni-base superalloys has significantly increased the efforts in designing advanced ferritic superalloys. However, currently developed ferritic superalloys still exhibit low high-temperature strengths, which limits their usage. Here we use a CALPHAD-based high-throughput computational method to design light, strong, and low-cost high-entropy alloys for elevated-temperature applications. Through the high-throughput screening, precipitation-strengthened lightweight high-entropy alloys are discovered from thousands of initial compositions, which exhibit enhanced strengths compared to other counterparts at room and elevated temperatures. The experimental and theoretical understanding of both successful and failed cases in their strengthening mechanisms and order-disorder transitions further improves the accuracy of the thermodynamic database of the discovered alloy system. This study shows that integrating high-throughput screening, multiscale modeling, and experimental validation proves to be efficient and useful in accelerating the discovery of advanced precipitation-strengthened structural materials tuned by the high-entropy alloy concept.

| S-EPMC8282813 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data